| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 14 | Yes |
Popular Name: 1-(6-Chloro-5-bromo-3-pyridyl)piperazine 1-(6-Chloro-5-bromo-3-pyridyl)pi…
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CAS Number: 412347-55-8
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.02 | 2.54 | -48.54 | 2 | 3 | 1 | 33 | 277.573 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 229 | 0.66 | Binding ≤ 10μM |
| Z104290-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 230 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 229.086765 | 0.66 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 230 | 0.66 | Binding ≤ 1μM |
| ACHA4_HUMAN | P43681 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Human | 229.086765 | 0.66 | Binding ≤ 10μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 230 | 0.66 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
No pre-computed analogs available. Try a structural similarity search.